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(Q104986349)
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English
(1S,4R,8S,11S,12R)-4,12-dihydroxy-4,8,12-trimethyl-1-propan-2-yl-15-oxabicyclo[9.3.1]pentadec-2-en-6-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
cembrane
0 references
mass
338.245709568
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,2E,4R,8S,11S,12R)-4,12-dihydroxy-4,8,12-trimethyl-1-propan-2-yl-15-oxabicyclo[9.3.1]pentadec-2-en-6-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1S,2E,4S,8S,11S,12R)-4,12-dihydroxy-4,8,12-trimethyl-1-propan-2-yl-15-oxabicyclo[9.3.1]pentadec-2-en-6-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(1S,4S,8S,11S,12R)-4,12-dihydroxy-4,8,12-trimethyl-1-propan-2-yl-15-oxabicyclo[9.3.1]pentadec-2-en-6-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₄O₄
0 references
canonical SMILES
O=C1CC(C)CCC2OC(C=CC(O)(C)C1)(CCC2(O)C)C(C)C
0 references
isomeric SMILES
CC(C)[C@@]12C=C[C@](C)(O)CC(=O)C[C@@H](C)CC[C@H](O1)[C@](C)(O)CC2
0 references
found in taxon
Sinularia crassa
1 reference
stated in
Bioactive cembranoids from the soft coral Sinularia crassa
Identifiers
InChI
InChI=1S/C20H34O4/c1-14(2)20-10-8-18(4,22)13-16(21)12-15(3)6-7-17(24-20)19(5,23)9-11-20/h8,10,14-15,17,22-23H,6-7,9,11-13H2,1-5H3/t15-,17-,18-,19+,20-/m0/s1
0 references
InChIKey
DOZZYPQKQILXDE-XCZFOBESSA-N
0 references
PubChem CID
162867892
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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